(3S)-1-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-[(2-methoxy-3-dibenzofuranyl)amino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)[NH+]4CCCC(C4)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)[NH+]4CCC[C@@H](C4)C(=O)N

InChI

InChI=1S/C22H25N3O4/c1-13(25-9-5-6-14(12-25)21(23)26)22(27)24-17-11-19-16(10-20(17)28-2)15-7-3-4-8-18(15)29-19/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3,(H2,23,26)(H,24,27)/p+1/t13-,14+/m1/s1